BDBM50061103 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(hexane-1-sulfonyl)-propyl-amino]-ethyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL419383
SMILES: CCCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
InChI Key: InChIKey=ONFVMNXKGCKHRE-ZJGIAAPESA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin receptor ET-B (Sus scrofa) | BDBM50061103 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(hexane-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Ability to displace endothelin ([125I]-ET-3) from endothelin B receptor derived from cerebellar tissue of porcine. | J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50061103 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(hexane-1...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Ability to displace endothelin ([125I]-ET-1) from endothelin A receptor derived from MMQ cells of rodent. | J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR | |||||||||||
More data for this Ligand-Target Pair |